General Information of the Compound
| Compound ID |
CP0042946
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H37FN6O4
|
||||||||||||||||||
| Molecular Weight |
648.739
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(cc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)c1=O)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H37FN6O4/c1-41-19-26(17-32(36(41)46)40-34-8-7-27(18-39-34)42-11-13-43(14-12-42)28-21-48-22-28)29-3-2-4-33(30(29)20-45)44-10-9-24-15-25(23-5-6-23)16-31(38)35(24)37(44)47/h2-4,7-10,15-19,23,28,45H,5-6,11-14,20-22H2,1H3,(H,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSXLSBLFGWIGSI-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound